Complexes after comparative docking

Receptor: model based on 4GC0 chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
6BG_A_2 0.000 3.9 0.57 85.1 6-BROMO-6-DEOXY-BETA-D-GLUCOPYRANOSE 4GC0 Raw